K638-0051 Screening compound: 4-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl furan-2-carboxylate

K638-0051 Screening compound: 4-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl furan-2-carboxylate
K638-0051 Screening compound: 4-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K638-0051
4-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl furan-2-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K638-0051

Molecular Formula

C24H15BrN4O4 (C24 H15 BrN4 O4)

Compound Name

4-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl furan-2-carboxylate

IUPAC name

4-[6-amino-3-(4-bromophenyl)-5-cyano-1H4H-pyrano[23-c]pyrazol-4-yl]phenyl furan-2-carboxylate

SMILES

NC(Oc1c(C2c(cc3)ccc3OC(c3ccco3)=O)c(-c(cc3)ccc3Br)n[nH]1)=C2C#N

InChI

InChI=1S/C24H15BrN4O4/c25-15-7-3-14(4-8-15)21-20-19(17(12-26)22(27)33-23(20)29-28-21)13-5-9-16(10-6-13)32-24(30)18-2-1-11-31-18/h1-11,19H,27H2,(H,28,29)/t19-/m0/s1

InChI Key

DUPZAAGFELCQSR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02652400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.53

Polar Surface Area

99.429

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

K638-0051 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K638-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K638-0051?
Check Price and Availability of K638-0051, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K638-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K638-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K638-0051
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K638-0051 available by request